Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.020 | 0.000 | 0.020 | 0.040 | 0.060 | 0.080 | 0.100 | 0.120 | 0.140 | 0.160 | 0.180 | 0.200 | 0.220 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HSSSH | trisulfane | 0.049 |
Most positive difference | FSSF | Difluorodisulfane | 0.195 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HSSSH | trisulfane | 2.054 | 0.049 |
S2 | Sulfur diatomic | 1.889 | 0.054 |
H2S2 | Disulfane | 2.056 | 0.056 |
CH3SSH | Hydrogen methyl disulfide | 2.038 | 0.058 |
S2+ | sulfur diatomic cation | 1.825 | 0.079 |
SSO | Disulfur monoxide | 1.884 | 0.110 |
FSSF | Difluorodisulfane | 1.890 | 0.195 |